2-(4-tert-butyl-2,6-dimethylphenyl)-6-methyl-9-oxa-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene

C23H25N3O — CID 59573057

IUPAC2-(4-tert-butyl-2,6-dimethylphenyl)-6-methyl-9-oxa-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene
SMILESCc1cnc2c(c1)Oc1cccnc1N2c1c(C)cc(C(C)(C)C)cc1C
InChIInChI=1S/C23H25N3O/c1-14-10-19-22(25-13-14)26(21-18(27-19)8-7-9-24-21)20-15(2)11-17(12-16(20)3)23(4,5)6/h7-13H,1-6H3
InChIKeyYTCKEZHWKJNGDX-UHFFFAOYSA-N
MW359.47 g/mol
LogP6.27
Rot. Bonds1

About 2-(4-tert-butyl-2,6-dimethylphenyl)-6-methyl-9-oxa-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene

2-(4-tert-butyl-2,6-dimethylphenyl)-6-methyl-9-oxa-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene (PubChem CID 59573057) has the molecular formula C23H25N3O and a molecular weight of 359.47 g/mol. Its IUPAC name is 2-(4-tert-butyl-2,6-dimethylphenyl)-6-methyl-9-oxa-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene.

Molecular Properties

Compound Name2-(4-tert-butyl-2,6-dimethylphenyl)-6-methyl-9-oxa-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene
PubChem CID59573057
Molecular FormulaC23H25N3O
Molecular Weight359.47 g/mol
Exact Mass359.20
IUPAC Name2-(4-tert-butyl-2,6-dimethylphenyl)-6-methyl-9-oxa-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene
SMILESCc1cnc2c(c1)Oc1cccnc1N2c1c(C)cc(C(C)(C)C)cc1C
InChIInChI=1S/C23H25N3O/c1-14-10-19-22(25-13-14)26(21-18(27-19)8-7-9-24-21)20-15(2)11-17(12-16(20)3)23(4,5)6/h7-13H,1-6H3
InChIKeyYTCKEZHWKJNGDX-UHFFFAOYSA-N
XLogP6.27
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.47
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(4-tert-butyl-2,6-dimethylphenyl)-6-methyl-9-oxa-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene with MolForge

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Related Compounds

2-(4-tert-butyl-2,6-dimethylphenyl)-6,12-dimethyl-9-oxa-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene
CID 59573258
2-(4-tert-butyl-2,6-dimethylphenyl)-6-methyl-2,4,9,10,15-pentazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene
CID 59572837
2-(4-tert-butyl-2,6-dimethylphenyl)-13-methyl-9-oxa-2,4,12-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene
CID 59572237
10-(4-tert-butyl-2,6-dimethylphenyl)-3-methyl-5H-pyrido[2,3-b][1,8]naphthyridine
CID 59573330
2-(2-methoxyphenyl)-6-methyl-9-oxa-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene
CID 59573551
6-methyl-2-(2-phenylphenyl)-9-oxa-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene
CID 59572790
6-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-yl)-9-oxa-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene
CID 59573562
2-(4-tert-butyl-2,6-dimethylphenyl)-5-methyl-9-oxa-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;5-(4-tert-butyl-2,6-dimethylphenyl)-3-methylpyrido[2,3-b][1,4]benzoxazine;5-(4-tert-butyl-2,6-dimethylphenyl)-3-methylpyrido[3,4-b][1,4]benzoxazine;5-(4-tert-butyl-2,6-dimethylphenyl)-7-methylpyrido[3,4-b][1,4]benzoxazine;10-(4-tert-butyl-2,6-dimethylphenyl)-2-methylpyrido[3,2-b][1,4]benzoxazine
CID 159316023
10-(4-tert-butyl-2,6-dimethylphenyl)-3-methylphenoxazine
CID 59572426
6-(4-tert-butyl-2,6-dimethylphenyl)-2,9-dimethylquinolino[3,2-b][1,4]benzoxazine
CID 59572612
2-(2,6-dimethyl-4-pentylphenyl)-5-methyl-9-oxa-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene
CID 163546175
2-(4-tert-butyl-2,6-dimethylphenyl)-6,12-dimethyl-9-oxa-2,4,13-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;9-(4-tert-butyl-2,6-dimethylphenyl)-5,13-dimethyl-2-oxa-4,9,11-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;9-(4-tert-butyl-2,6-dimethylphenyl)-5,13-dimethyl-2-oxa-4,9,12-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;9-(4-tert-butyl-2,6-dimethylphenyl)-5,13-dimethyl-2-oxa-4,9,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;10-(4-tert-butyl-2,6-dimethylphenyl)-3,7-dimethylpyrazino[2,3-b][1,4]benzoxazine;10-(4-tert-butyl-2,6-dimethylphenyl)-3,7-dimethylpyridazino[4,3-b][1,4]benzoxazine
CID 157331391

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butyl-2,6-dimethylphenyl)-6-methyl-9-oxa-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene?
The IUPAC name of 2-(4-tert-butyl-2,6-dimethylphenyl)-6-methyl-9-oxa-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene (CID 59573057) is 2-(4-tert-butyl-2,6-dimethylphenyl)-6-methyl-9-oxa-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene.
What is the SMILES notation for 2-(4-tert-butyl-2,6-dimethylphenyl)-6-methyl-9-oxa-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene?
The canonical SMILES for 2-(4-tert-butyl-2,6-dimethylphenyl)-6-methyl-9-oxa-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene is Cc1cnc2c(c1)Oc1cccnc1N2c1c(C)cc(C(C)(C)C)cc1C.
What is the InChIKey of 2-(4-tert-butyl-2,6-dimethylphenyl)-6-methyl-9-oxa-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene?
The InChIKey is YTCKEZHWKJNGDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O/c1-14-10-19-22(25-13-14)26(21-18(27-19)8-7-9-24-21)20-15(2)11-17(12-16(20)3)23(4,5)6/h7-13H,1-6H3.
What are the key properties of 2-(4-tert-butyl-2,6-dimethylphenyl)-6-methyl-9-oxa-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene?
2-(4-tert-butyl-2,6-dimethylphenyl)-6-methyl-9-oxa-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene has a molecular weight of 359.47 g/mol, XLogP of 6.27, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butyl-2,6-dimethylphenyl)-6-methyl-9-oxa-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene is sourced from PubChem (CID 59573057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).